SCHEMBL9057420

SCHEMBL9057420

COC(=O)C1=C(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)NN(CC(F)(F)F)C1C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.47
AGTR2 P50052 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9044265 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9040338 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9056324 0.83 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9056317 0.82 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9042470 0.79 AGTR1 (0.54) AGTR1
SCHEMBL9057424 0.77 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9057468 0.77 AGTR1 (0.61) AGTR1
SCHEMBL9057380 0.77 KMT2A (0.35)
SCHEMBL9053875 0.74 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9059631 0.74 AGTR1 (0.51) AGTR1AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed